name Intraclash total energy Backbone Hbond Sidechain Hbond Van der Waals Electrostatics Solvation Polar Solvation Hydrophobic Van de Waals clashes entropy side chain entropy main chain sloop_entropy mloop_entropy cis_bond torsional clash backbone clash helix dipole water bridge disulfide electrostatic Kon partial covalent bonds BUD14_1SEM-12_1.PDB 2.49588 -8.78000 -0.30000 -2.58000 -5.45000 -1.90000 4.99000 -7.09000 1.43000 2.05000 1.57000 0.00000 0.00000 0.00000 0.13000 0.41000 0.00000 -0.60000 0.00000 -1.03000 0.00000 2.38000 65.00000 BUD14_1SEM-12_2.PDB 2.83383 -8.57000 -0.03000 -1.98000 -6.03000 -1.97000 5.94000 -7.68000 0.25000 3.06000 1.69000 0.00000 0.00000 0.00000 0.07000 0.45000 0.00000 -0.62000 0.00000 -1.27000 0.00000 2.38000 65.00000 BUD14_1SEM-12_3.PDB 2.23462 -9.02000 -0.05000 -0.87000 -5.67000 -2.02000 4.40000 -7.42000 0.21000 2.64000 1.20000 0.00000 0.00000 0.00000 0.07000 0.45000 0.00000 -0.40000 0.00000 -1.11000 0.00000 2.38000 65.00000 BUD14_1SEM-12_4.PDB 2.24988 -9.33000 -0.17000 -0.92000 -5.52000 -2.20000 4.23000 -7.20000 0.25000 2.23000 1.27000 0.00000 0.00000 0.00000 0.05000 0.34000 0.00000 -0.28000 0.00000 -1.07000 0.00000 2.38000 65.00000 BUD14_1SEM-12_5.PDB 2.63536 -8.03000 -0.05000 -0.89000 -5.70000 -2.05000 4.73000 -7.30000 0.32000 2.69000 1.51000 0.00000 0.00000 0.00000 0.05000 0.43000 0.00000 -0.28000 0.00000 -1.06000 0.00000 2.38000 65.00000 BUD14_1SEM-12_6.PDB 2.37804 -7.71000 -0.12000 -0.76000 -5.14000 -1.82000 4.22000 -6.57000 0.10000 2.06000 1.48000 0.00000 0.00000 0.00000 0.03000 0.33000 0.00000 -0.26000 0.00000 -0.91000 0.00000 2.38000 65.00000 BUD14_1SEM-12_7.PDB 2.57052 -8.36000 -0.34000 -0.85000 -5.15000 -1.89000 3.96000 -6.78000 0.53000 1.92000 1.36000 0.00000 0.00000 0.00000 0.06000 0.37000 0.00000 -0.24000 0.00000 -0.94000 0.00000 2.38000 65.00000 BUD14_1SEM-12_8.PDB 2.09330 -8.91000 -0.12000 -0.75000 -5.44000 -1.98000 4.20000 -7.10000 0.16000 2.13000 1.23000 0.00000 0.00000 0.00000 0.04000 0.37000 0.00000 -0.28000 0.00000 -1.00000 0.00000 2.38000 65.00000 BUD14_1SEM-12_9.PDB 2.35591 -7.63000 -0.05000 -0.87000 -5.65000 -1.98000 4.62000 -7.23000 0.24000 2.63000 1.80000 0.00000 0.00000 0.00000 0.05000 0.45000 0.00000 -0.21000 0.00000 -1.00000 0.00000 2.38000 65.00000 BUD14_1SEM-12_10.PDB 2.59494 -7.77000 -0.11000 -0.92000 -5.52000 -2.07000 4.58000 -7.06000 0.11000 2.86000 1.78000 0.00000 0.00000 0.00000 0.03000 0.34000 0.00000 -0.21000 0.00000 -1.23000 0.00000 2.38000 65.00000 BUD14_1SEM-12_11.PDB 2.31704 -8.75000 -0.16000 -0.91000 -5.53000 -2.18000 4.36000 -7.17000 0.19000 2.12000 1.78000 0.00000 0.00000 0.00000 0.09000 0.43000 0.00000 -0.29000 0.00000 -1.04000 0.00000 2.38000 65.00000 BUD14_1SEM-12_12.PDB 2.01598 -8.83000 -0.04000 -0.85000 -5.81000 -1.96000 4.59000 -7.58000 0.22000 2.66000 1.28000 0.00000 0.00000 0.00000 0.08000 0.46000 0.00000 -0.37000 0.00000 -1.03000 0.00000 2.38000 65.00000 BUD14_1SEM-12_13.PDB 2.18127 -5.99000 -0.15000 -0.11000 -4.69000 -0.45000 2.95000 -6.84000 0.30000 2.41000 1.43000 0.00000 0.00000 0.00000 0.01000 0.15000 0.00000 -0.25000 0.00000 -0.60000 0.00000 2.38000 65.00000 BUD14_1SEM-12_14.PDB 2.48796 -7.62000 -0.17000 -0.67000 -5.58000 -1.73000 4.71000 -7.26000 0.15000 2.14000 1.96000 0.00000 0.00000 0.00000 0.05000 0.41000 0.00000 -0.27000 0.00000 -0.97000 0.00000 2.38000 65.00000 BUD14_1SEM-12_15.PDB 2.53532 -7.61000 -0.05000 -0.74000 -5.71000 -1.99000 4.77000 -7.25000 0.28000 2.61000 1.54000 0.00000 0.00000 0.00000 0.05000 0.44000 0.00000 -0.29000 0.00000 -0.84000 0.00000 2.38000 65.00000 BUD14_1SEM-12_16.PDB 2.92267 -7.12000 -0.35000 -1.16000 -5.23000 -1.90000 4.42000 -6.68000 0.15000 2.65000 2.49000 0.00000 0.00000 0.00000 0.03000 0.39000 0.00000 -0.45000 0.00000 -1.09000 0.00000 2.38000 65.00000 BUD14_1SEM-12_17.PDB 2.29620 -8.59000 -0.30000 -1.05000 -5.54000 -2.12000 4.55000 -7.12000 0.24000 2.13000 1.85000 0.00000 0.00000 0.00000 0.06000 0.40000 0.00000 -0.23000 0.00000 -1.07000 0.00000 2.38000 65.00000 BUD14_1SEM-12_18.PDB 2.84699 -8.54000 -0.14000 -0.47000 -5.63000 -1.84000 4.25000 -7.45000 0.72000 2.11000 1.44000 0.00000 0.00000 0.00000 0.07000 0.31000 0.00000 -0.55000 0.00000 -1.04000 0.00000 2.38000 65.00000 BUD14_1SEM-12_19.PDB 2.68658 -8.49000 -0.05000 -0.83000 -5.89000 -2.16000 4.84000 -7.66000 0.21000 3.01000 1.49000 0.00000 0.00000 0.00000 0.08000 0.45000 0.00000 -0.22000 0.00000 -1.29000 0.00000 2.38000 65.00000 BUD14_1SEM-12_20.PDB 3.41058 -8.65000 -0.26000 -0.93000 -5.69000 -1.92000 4.52000 -7.42000 0.59000 2.27000 1.70000 0.00000 0.00000 0.00000 0.08000 0.40000 0.00000 -0.46000 0.00000 -1.12000 0.00000 2.38000 65.00000 BUD14_1SEM-12_21.PDB 2.41864 -8.71000 -0.22000 -0.80000 -5.66000 -1.99000 4.57000 -7.39000 0.17000 2.24000 1.55000 0.00000 0.00000 0.00000 0.04000 0.34000 0.00000 -0.27000 0.00000 -0.94000 0.00000 2.38000 65.00000 BUD14_1SEM-12_22.PDB 2.58463 -9.04000 -0.17000 -0.74000 -5.77000 -2.10000 4.52000 -7.57000 0.24000 2.35000 1.42000 0.00000 0.00000 0.00000 0.04000 0.33000 0.00000 -0.26000 0.00000 -1.00000 0.00000 2.38000 65.00000 BUD14_1SEM-12_23.PDB 2.68165 -7.70000 -0.21000 -0.82000 -5.52000 -1.97000 4.73000 -6.95000 0.14000 2.09000 2.02000 0.00000 0.00000 0.00000 0.06000 0.40000 0.00000 -0.23000 0.00000 -1.04000 0.00000 2.38000 65.00000 BUD14_1SEM-12_24.PDB 2.54635 -7.99000 -0.34000 -1.06000 -5.40000 -2.21000 4.55000 -6.97000 0.08000 2.41000 2.42000 0.00000 0.00000 0.00000 0.06000 0.36000 0.00000 -0.32000 0.00000 -1.21000 0.00000 2.38000 65.00000 BUD14_1SEM-12_25.PDB 2.66540 -7.35000 -0.23000 -1.04000 -5.37000 -1.91000 4.68000 -6.75000 0.12000 2.66000 1.79000 0.00000 0.00000 0.00000 0.03000 0.34000 0.00000 -0.37000 0.00000 -0.95000 0.00000 2.38000 65.00000 BUD14_1SEM-12_26.PDB 2.71304 -5.98000 -0.15000 -0.12000 -4.80000 -0.43000 3.37000 -6.84000 0.11000 2.38000 1.24000 0.00000 0.00000 0.00000 0.02000 0.08000 0.00000 -0.25000 0.00000 -0.51000 0.00000 2.38000 65.00000 BUD14_1SEM-12_27.PDB 2.23353 -8.24000 -0.06000 -0.83000 -5.86000 -2.01000 4.75000 -7.65000 0.34000 2.76000 1.48000 0.00000 0.00000 0.00000 0.07000 0.45000 0.00000 -0.21000 0.00000 -1.05000 0.00000 2.38000 65.00000 BUD14_1SEM-12_28.PDB 1.71860 -7.52000 -0.15000 -0.94000 -5.67000 -1.91000 4.66000 -7.29000 0.15000 2.71000 2.14000 0.00000 0.00000 0.00000 0.04000 0.40000 0.00000 -0.29000 0.00000 -0.97000 0.00000 2.38000 65.00000 BUD14_1SEM-12_29.PDB 2.01635 -8.04000 -0.36000 -1.18000 -5.32000 -2.18000 4.27000 -6.87000 0.31000 2.83000 1.95000 0.00000 0.00000 0.00000 0.07000 0.39000 0.00000 -0.27000 0.00000 -1.29000 0.00000 2.38000 65.00000 BUD14_1SEM-12_30.PDB 3.07334 -8.12000 -0.19000 -0.62000 -5.70000 -2.00000 4.51000 -7.42000 0.64000 2.12000 1.55000 0.00000 0.00000 0.00000 0.08000 0.34000 0.00000 -0.14000 0.00000 -0.93000 0.00000 2.38000 65.00000